SCHEMBL8918833

SCHEMBL8918833

CS(=O)(=O)c1ccc(-c2nnsc2-c2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.76
PTGS1 P23219 3/20 0.52
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 1/20 0.49
MITF O75030 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
CASP6 P55212 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8918835 1.00 PTGS2 (0.76) PTGS2PTGS1LMNAMAPTKMT2A
SCHEMBL8918341 0.87 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8918347 0.87 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8918845 0.84 PTGS2 (0.62) PTGS2PTGS1LMNAMAPTKMT2A
SCHEMBL8918839 0.84 PTGS2 (0.62) PTGS2PTGS1LMNAMAPTKMT2A
SCHEMBL8918427 0.84 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL8918438 0.84 PTGS2 (0.74) PTGS2PTGS1LMNAMAPTKMT2A
SCHEMBL367037 0.83 TDO2 (0.59) PTGS2LMNAMAPTKMT2ANFKB1
SCHEMBL170710 0.82 TDO2 (0.61) PTGS2LMNAMAPTKMT2ANFKB1
SCHEMBL8915742 0.81 PTGS2 (0.80) PTGS2PTGS1LMNAMAPTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5677318-A Diphenyl-1,2-3-thiadiazoles as anti-inflammatory agents MERCK FROSST CANADA, INC. (CA) 1997-10-14 US claimed
US-5677318-A Diphenyl-1,2-3-thiadiazoles as anti-inflammatory agents MERCK FROSST CANADA, INC. (CA) 1997-10-14 US disclosed